1-[2-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea

C14H15F3N4O — CID 35283624

IUPAC1-[2-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
SMILESCc1nn(C)c(C)c1NC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H15F3N4O/c1-8-12(9(2)21(3)20-8)19-13(22)18-11-7-5-4-6-10(11)14(15,16)17/h4-7H,1-3H3,(H2,18,19,22)
InChIKeyGOKGHNPZIZSZNV-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.70
Rot. Bonds2

About 1-[2-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea

1-[2-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea (PubChem CID 35283624) has the molecular formula C14H15F3N4O and a molecular weight of 312.30 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
PubChem CID35283624
Molecular FormulaC14H15F3N4O
Molecular Weight312.30 g/mol
Exact Mass312.12
IUPAC Name1-[2-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
SMILESCc1nn(C)c(C)c1NC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H15F3N4O/c1-8-12(9(2)21(3)20-8)19-13(22)18-11-7-5-4-6-10(11)14(15,16)17/h4-7H,1-3H3,(H2,18,19,22)
InChIKeyGOKGHNPZIZSZNV-UHFFFAOYSA-N
XLogP3.70
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,5-dimethylpyrazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108813241
N'-[2-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide
CID 71882069
2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-3-carboxamide
CID 59808189
1-(4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 4885076
6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)pyridazine-3-carboxamide
CID 24655009
1-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 18524440
1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 42161810
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19537773
1-[4-(3-methylpyrazol-1-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 35521130
1-methyl-4-[[2-(trifluoromethyl)phenyl]carbamoyl]pyrazole-5-carboxylic acid
CID 19496083
4-(4-iodo-3,5-dimethylpyrazol-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 5306207

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The IUPAC name of 1-[2-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea (CID 35283624) is 1-[2-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[2-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The canonical SMILES for 1-[2-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea is Cc1nn(C)c(C)c1NC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The InChIKey is GOKGHNPZIZSZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O/c1-8-12(9(2)21(3)20-8)19-13(22)18-11-7-5-4-6-10(11)14(15,16)17/h4-7H,1-3H3,(H2,18,19,22).
What are the key properties of 1-[2-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea?
1-[2-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea has a molecular weight of 312.30 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea is sourced from PubChem (CID 35283624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).